Geometry & MOs

Info

ID:	331304
PubChem CID:	127248711
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	19.52
Dipole, Da:	5.06
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCOCC1=CC=C(C=C1)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations